SCHEMBL3366145

SCHEMBL3366145

CC#Cc1cccc(C(=O)O)c1C(=O)c1ccc(N(CC)CC)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 5/20 0.50
GAA P10253 5/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 3/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
CYP3A4 P08684 1/20 0.36
MCL1 Q07820 2/20 0.36
BCL2L1 Q07817 1/20 0.36
MAPT P10636 8/20 0.36
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
GRK6 P43250 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11369420 0.87 MEN1 (0.78) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18315858 0.82 SMN1; SMN2 (0.70) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL39206 0.78 KMT2A (1.00) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2418987 0.76 MEN1 (0.61) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18315859 0.76 MEN1 (0.61) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL503775 0.76 MEN1 (0.75) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9617192 0.75 MEN1 (0.79) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL22938990 0.75 MEN1 (0.84) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27913467 0.75 MEN1 (0.89) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1963851 0.75 MEN1 (0.70) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521798-B1 SUNSCREENS DSM IP ASSETS BV (NL) 2010-01-27 EP disclosed